CID 2760886

675602-85-4

Structural Information

Molecular Formula
C25H22N2O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4CCC(=O)O
InChI
InChI=1S/C25H22N2O2/c28-24(29)17-16-23-26-18-19-27(23)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,28,29)
InChIKey
RVUHFAQCWRGTJH-UHFFFAOYSA-N
Compound name
3-(1-tritylimidazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

382.16812 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17540 193.0
[M+Na]+ 405.15734 197.5
[M-H]- 381.16084 201.2
[M+NH4]+ 400.20194 201.3
[M+K]+ 421.13128 190.6
[M+H-H2O]+ 365.16538 181.6
[M+HCOO]- 427.16632 210.4
[M+CH3COO]- 441.18197 201.3
[M+Na-2H]- 403.14279 195.7
[M]+ 382.16757 191.5
[M]- 382.16867 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe